[(1S)-1-[(4S,5S)-2,2-dimethyl-4-prop-2-enyl-1,3-dioxan-5-yl]but-3-enoxy]-tri(propan-2-yl)silane

C22H42O3Si — CID 10500135

IUPAC[(1S)-1-[(4S,5S)-2,2-dimethyl-4-prop-2-enyl-1,3-dioxan-5-yl]but-3-enoxy]-tri(propan-2-yl)silane
SMILESC=CC[C@@H]1OC(C)(C)OC[C@@H]1[C@H](CC=C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C22H42O3Si/c1-11-13-20-19(15-23-22(9,10)24-20)21(14-12-2)25-26(16(3)4,17(5)6)18(7)8/h11-12,16-21H,1-2,13-15H2,3-10H3/t19-,20-,21-/m0/s1
InChIKeyURVSDWYVZOCVRG-ACRUOGEOSA-N
MW382.66 g/mol
LogP6.47
Rot. Bonds10

About [(1S)-1-[(4S,5S)-2,2-dimethyl-4-prop-2-enyl-1,3-dioxan-5-yl]but-3-enoxy]-tri(propan-2-yl)silane

[(1S)-1-[(4S,5S)-2,2-dimethyl-4-prop-2-enyl-1,3-dioxan-5-yl]but-3-enoxy]-tri(propan-2-yl)silane (PubChem CID 10500135) has the molecular formula C22H42O3Si and a molecular weight of 382.66 g/mol. Its IUPAC name is [(1S)-1-[(4S,5S)-2,2-dimethyl-4-prop-2-enyl-1,3-dioxan-5-yl]but-3-enoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(1S)-1-[(4S,5S)-2,2-dimethyl-4-prop-2-enyl-1,3-dioxan-5-yl]but-3-enoxy]-tri(propan-2-yl)silane
PubChem CID10500135
Molecular FormulaC22H42O3Si
Molecular Weight382.66 g/mol
Exact Mass382.29
IUPAC Name[(1S)-1-[(4S,5S)-2,2-dimethyl-4-prop-2-enyl-1,3-dioxan-5-yl]but-3-enoxy]-tri(propan-2-yl)silane
SMILESC=CC[C@@H]1OC(C)(C)OC[C@@H]1[C@H](CC=C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C22H42O3Si/c1-11-13-20-19(15-23-22(9,10)24-20)21(14-12-2)25-26(16(3)4,17(5)6)18(7)8/h11-12,16-21H,1-2,13-15H2,3-10H3/t19-,20-,21-/m0/s1
InChIKeyURVSDWYVZOCVRG-ACRUOGEOSA-N
XLogP6.47
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.66
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[(4S,5S)-2,2-dimethyl-4-prop-2-enyl-1,3-dioxan-5-yl]but-3-enoxy]-tri(propan-2-yl)silane?
The IUPAC name of [(1S)-1-[(4S,5S)-2,2-dimethyl-4-prop-2-enyl-1,3-dioxan-5-yl]but-3-enoxy]-tri(propan-2-yl)silane (CID 10500135) is [(1S)-1-[(4S,5S)-2,2-dimethyl-4-prop-2-enyl-1,3-dioxan-5-yl]but-3-enoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [(1S)-1-[(4S,5S)-2,2-dimethyl-4-prop-2-enyl-1,3-dioxan-5-yl]but-3-enoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [(1S)-1-[(4S,5S)-2,2-dimethyl-4-prop-2-enyl-1,3-dioxan-5-yl]but-3-enoxy]-tri(propan-2-yl)silane is C=CC[C@@H]1OC(C)(C)OC[C@@H]1[C@H](CC=C)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(1S)-1-[(4S,5S)-2,2-dimethyl-4-prop-2-enyl-1,3-dioxan-5-yl]but-3-enoxy]-tri(propan-2-yl)silane?
The InChIKey is URVSDWYVZOCVRG-ACRUOGEOSA-N. The full InChI is InChI=1S/C22H42O3Si/c1-11-13-20-19(15-23-22(9,10)24-20)21(14-12-2)25-26(16(3)4,17(5)6)18(7)8/h11-12,16-21H,1-2,13-15H2,3-10H3/t19-,20-,21-/m0/s1.
What are the key properties of [(1S)-1-[(4S,5S)-2,2-dimethyl-4-prop-2-enyl-1,3-dioxan-5-yl]but-3-enoxy]-tri(propan-2-yl)silane?
[(1S)-1-[(4S,5S)-2,2-dimethyl-4-prop-2-enyl-1,3-dioxan-5-yl]but-3-enoxy]-tri(propan-2-yl)silane has a molecular weight of 382.66 g/mol, XLogP of 6.47, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[(4S,5S)-2,2-dimethyl-4-prop-2-enyl-1,3-dioxan-5-yl]but-3-enoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 10500135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).